2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene

C26H24F4 — CID 58698539

IUPAC2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESCCCc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C26H24F4/c1-2-6-20-14-16-23(25(27)18-20)15-13-19-9-11-21(12-10-19)17-24(26(28,29)30)22-7-4-3-5-8-22/h3-5,7-16,18,24H,2,6,17H2,1H3/t24-/m0/s1
InChIKeyQHCRZXAMUKRQQB-DEOSSOPVSA-N
MW412.47 g/mol
LogP7.84
Rot. Bonds7

About 2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene

2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene (PubChem CID 58698539) has the molecular formula C26H24F4 and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
PubChem CID58698539
Molecular FormulaC26H24F4
Molecular Weight412.47 g/mol
Exact Mass412.18
IUPAC Name2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESCCCc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C26H24F4/c1-2-6-20-14-16-23(25(27)18-20)15-13-19-9-11-21(12-10-19)17-24(26(28,29)30)22-7-4-3-5-8-22/h3-5,7-16,18,24H,2,6,17H2,1H3/t24-/m0/s1
InChIKeyQHCRZXAMUKRQQB-DEOSSOPVSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 21052760
2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 58698355
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
CID 58698086
2-fluoro-1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 162550685
1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052475
1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698674
1-ethoxy-2-fluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052617
1-ethoxy-2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698147
2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene
CID 21052816
1-pent-3-enyl-4-[2-[4-[(2R)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91115547
2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698594

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene?
The IUPAC name of 2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene (CID 58698539) is 2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene?
The canonical SMILES for 2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene is CCCc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene?
The InChIKey is QHCRZXAMUKRQQB-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H24F4/c1-2-6-20-14-16-23(25(27)18-20)15-13-19-9-11-21(12-10-19)17-24(26(28,29)30)22-7-4-3-5-8-22/h3-5,7-16,18,24H,2,6,17H2,1H3/t24-/m0/s1.
What are the key properties of 2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene?
2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene has a molecular weight of 412.47 g/mol, XLogP of 7.84, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 58698539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).